Geometry & MOs

Info

ID:

328607

PubChem CID:

126725945

Reduced:

N3O10C57H79 (1)

Stoich.:

A3B10C57D79 (1)

Weight, g/mol:

757.430216

ΔHf, kcal/mol:

-454.9

Dipole, Da:

4.52

IP(EA), eV:

 -8.7(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-(9H-fluoren-3-yl)pyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)CC1(C2=CC=CC=C2C3=C1C=C(C=C3)C#CC4=CC(=NC(=C4)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

DOS

IR

Vibrations